General Information of the Compound
| Compound ID |
CP0518203
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| Compound Name |
MLS000582357
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| Structure |
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| Formula |
C16H22ClN3OS
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| Molecular Weight |
339.892
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| Canonical SMILES |
CCCC(=O)NC(=S)Nc1cccc(Cl)c1N1CCCCC1
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| InChI |
InChI=1S/C16H22ClN3OS/c1-2-7-14(21)19-16(22)18-13-9-6-8-12(17)15(13)20-10-4-3-5-11-20/h6,8-9H,2-5,7,10-11H2,1H3,(H2,18,19,21,22)
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| InChIKey |
UDCRKLGIJJVBRP-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3